tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate

C11H20N2O4 — CID 130535807

IUPACtert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-6-4-5-11(16,7-13)8(12)14/h16H,4-7H2,1-3H3,(H2,12,14)
InChIKeyIYUCEUWPEAUMJV-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.23
Rot. Bonds1

About tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate

tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate (PubChem CID 130535807) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
PubChem CID130535807
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-6-4-5-11(16,7-13)8(12)14/h16H,4-7H2,1-3H3,(H2,12,14)
InChIKeyIYUCEUWPEAUMJV-UHFFFAOYSA-N
XLogP0.23
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate (CID 130535807) is tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(O)(C(N)=O)C1.
What is the InChIKey of tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
The InChIKey is IYUCEUWPEAUMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-6-4-5-11(16,7-13)8(12)14/h16H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 130535807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).